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DocumentationIdentifier: MM366174
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM366174 |
| SMILES |
CCC(C)CCN=CNC
|
| InChIKey |
OWZSDXMHJQPQHY-UHFFFAOYSA-N
|
| MW [Da] |
142.25
Automatically obtained from RDkit software. |
| LogP |
1.67
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM213203
Similarity: 0.8
Similarity to MM213203
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM125767
Similarity: 0.6769
Similarity to MM125767
| Tanimoto metric | 0.6769 |
|---|---|
| Cosine metric | 0.8228 |
| Dice metric | 0.8073 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM213589
Similarity: 0.6027
Similarity to MM213589
| Tanimoto metric | 0.6027 |
|---|---|
| Cosine metric | 0.7568 |
| Dice metric | 0.7521 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+235 more
